SCHEMBL2174846

SCHEMBL2174846

CCOC(=O)COc1cccc2ccn(C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
USP2 O75604 1/20 0.47
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TLR9 Q9NR96 2/20 0.43
NPC1 O15118 2/20 0.43
PTPN1 P18031 1/20 0.43
S1PR4 O95977 1/20 0.43
ITGA4 P13612 1/20 0.43
S1PR1 P21453 1/20 0.43
RAB9A P51151 1/20 0.43
F9 P00740 1/20 0.43
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31505086 1.00 KDM4E (0.47) KDM4EUSP2ABCB1ALDH1A1SMN1; SMN2
SCHEMBL2089418 0.82 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL12251441 0.81 L3MBTL1 (0.41) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL28919591 0.78 CMA1 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL2175343 0.77 TDP1 (0.45) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2010417 0.76 USP2 (0.67) KDM4EUSP2ABCB1ALDH1A1SMN1; SMN2
SCHEMBL31520212 0.76 TSHR (0.67) KDM4EUSP2ABCB1ALDH1A1SMN1; SMN2
SCHEMBL11490448 0.76 TSHR (0.67) KDM4EUSP2ABCB1ALDH1A1SMN1; SMN2
SCHEMBL14252838 0.75 USP2 (0.57) KDM4EUSP2ABCB1ALDH1A1SMN1; SMN2
SCHEMBL2174565 0.74 HTR1B (0.38) KDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 KDM4E 1420/4885USP2 1860/4885ABCB1 1049/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.